N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
Formula:C16H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C16H11N3O3 |
| Smiles | O=C(c1cnccc1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21) |
| InChIK | DAVIKTBRCQWOGT-UHFFFAOYSA-N |
| TotalMolweight | 293.281 |
| Molweight | 293.281 |
| MonoisotopicMass | 293.080042 |
| CLogP | 1.3181 |
| CLogS | -3.476 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.71 |
| Relative PSA | 0.3116 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 4.9217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
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